Basic information
- CAS
325739-17-1- Standard SMILES
Cc1ccc(Cl)c(NSc2ccccc2[N+](=O)[O-])c1- InChIKey
TXXLLAFVXUKCQT-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2S
- Average molar mass
- 294.76 g/mol
- Monoisotopic mass
- 294.0229765
Names & identifiers
- Preferred name
- 1-Chloro-4-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene
- IUPAC
- 2-chloro-5-methyl-N-(2-nitrophenyl)sulfanylaniline
- English name
- 1-Chloro-4-methyl-2-([(2-nitrophenyl)sulfanyl]amino)benzene
- Molecular formula
- C13H11ClN2O2S
- Molecular weight
- 294.76
Names & synonyms
1-chloro-4-methyl-2-{[(2-nitrophenyl)sulfanyl]amino}benzene2-chloro-5-methyl-N-(2-nitrophenyl)sulfanylanilineAKOS001018963AQ-012/42718454Z567734611-CHLORO-4-METHYL-2-(((2-NITROPHENYL)THIO)AMINO)BENZENESALOR-INT L140988-1EA1-Chloro-4-methyl-2-([(2-nitrophenyl)sulfanyl]amino)benzene
Database identifiers
- CAS
325739-17-1- PubChem CID
- 820784
- EC Number
- 122-282-5
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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